CID 138113092

Tert-butyl 3-ethynylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C#C
InChI
InChI=1S/C11H18N2O2/c1-5-9-8-13(7-6-12-9)10(14)15-11(2,3)4/h1,9,12H,6-8H2,2-4H3
InChIKey
SHCJWUXVYVUARU-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.13683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 149.2
[M+Na]+ 233.126048 156.1
[M-H]- 209.129554 146.7
[M+NH4]+ 228.170653 162.8
[M+K]+ 249.099988 153.4
[M+H-H2O]+ 193.134090 136.5
[M+HCOO]- 255.135031 157.9
[M+CH3COO]- 269.150681 191.0
[M+Na-2H]- 231.111496 151.1
[M]+ 210.13628142 140.1
[M]- 210.13737858 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.